巴豆醛
TL;DR: 巴豆醛 (CAS 123-73-9) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆醛
but-2-enal
Also Known As: CROTONALDEHYDE, Butenal, but-2-enal, Crotylaldehyde, 2-Butenal
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 123-73-9 |
|---|---|
| SMILES | CC=CC=O |
| InChIKey | MLUCVPSAIODCQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
巴豆醛 (CAS 123-73-9), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: but-2-enal.
Chemical Property Profile of 巴豆醛
Property Insights of 巴豆醛
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巴豆醛. With a topological polar surface area (TPSA) of 17.1 Ų, 巴豆醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴豆醛 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 巴豆醛?
The CAS number of 巴豆醛 is 123-73-9.
What is the molecular formula of 巴豆醛?
The molecular formula of 巴豆醛 is C4H6O.
What is the molecular weight of 巴豆醛?
The molecular weight of 巴豆醛 is 70.04 g/mol.
Where can I buy 巴豆醛?
You can request a quote for 巴豆醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆醛?
Yes, KEHONG BIO provides custom synthesis services for 巴豆醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.